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[求助]
MS报错，请求大佬帮助
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在用MS第一性原理预测晶格参数时报错，希望大佬能指出哪里出错了，怎么解决，万分感谢。 2023/10/25@12:48:37 Diagnostics INFO Log file created 2023/10/25@12:50:37 [FVSB8] - 3D Atomistic CASTEP GeomOpt ERROR Incomplete CASTEP output file 2023/10/25@12:50:39 [FVSB8] - 3D Atomistic CASTEP GeomOpt ERROR Error on Job Complete. Failed to import document from C:\Users\W\Documents\Materials Studio Projects\alas_Files\Documents\3D Atomistic CASTEP GeomOpt\3D Atomistic.xsd. - Binary file with CASTEP results not present. 2023/10/25@12:50:40 [FVSB8] - 3D Atomistic CASTEP GeomOpt ERROR Files not removed from server due to previous errors. 2023/10/25@12:50:40 [FVSB8] - 3D Atomistic CASTEP GeomOpt WARN As instructed, files have been left on remote server, these may need to be manually archived. |
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2楼2023-10-31 08:50:59